SCHEMBL6380798

SCHEMBL6380798

CCc1cccc(NC(=O)NCCCl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
EPHX1 P07099 3/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7463664 0.88 MAPT (0.70) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6688407 0.87 KMT2A (0.55) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL29128669 0.85 MAPT (0.56) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6688013 0.85 EPHX1 (0.61) MAPTMEN1KMT2ASMN1; SMN2EPHX1
SCHEMBL24211435 0.84 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL15601832 0.84 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6690073 0.84 KMT2A (0.56) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6693475 0.84 HPSE (0.59) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6689121 0.84 EPHX1 (0.63) MEN1KMT2ASMN1; SMN2EPHX1ALDH1A1
SCHEMBL6691753 0.84 EPHX1 (0.63) MEN1KMT2ASMN1; SMN2EPHX1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250853-A1 Beta-tubulin inhibitors GAUDREAULT RENE C 2005-11-10 US disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed
US-20020115722-A1 SS tubulin inhibitors SOVAR, SOCIETE EN COMMANDITE (CA) 2002-08-22 US disclosed
WO-2001047504-A2 β-TUBELIN INHIBITORS AND THEIR USE AGAINST CANCER UNIVERSITé LAVAL (CA) 2001-07-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050250853-A1 Beta-tubulin inhibitors TUBB, TUBB1, TUBB3 MAPT 42/4885MEN1 4134/4885KMT2A 4402/4885
US-20020115722-A1 SS tubulin inhibitors TUBB1, TUBB, TUBB3 MAPT 47/4885MEN1 4129/4885KMT2A 4264/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.